4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid

C14H8ClF2N3O2 — CID 90417980

IUPAC4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid
SMILESNc1c(F)c(-c2ccc3cc[nH]c3c2F)nc(C(=O)O)c1Cl
InChIInChI=1S/C14H8ClF2N3O2/c15-7-10(18)9(17)12(20-13(7)14(21)22)6-2-1-5-3-4-19-11(5)8(6)16/h1-4,19H,(H2,18,20)(H,21,22)
InChIKeyCIPJEXPBJDLNIP-UHFFFAOYSA-N
MW323.69 g/mol
LogP3.44
Rot. Bonds2

About 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid

4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid (PubChem CID 90417980) has the molecular formula C14H8ClF2N3O2 and a molecular weight of 323.69 g/mol. Its IUPAC name is 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid
PubChem CID90417980
Molecular FormulaC14H8ClF2N3O2
Molecular Weight323.69 g/mol
Exact Mass323.03
IUPAC Name4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid
SMILESNc1c(F)c(-c2ccc3cc[nH]c3c2F)nc(C(=O)O)c1Cl
InChIInChI=1S/C14H8ClF2N3O2/c15-7-10(18)9(17)12(20-13(7)14(21)22)6-2-1-5-3-4-19-11(5)8(6)16/h1-4,19H,(H2,18,20)(H,21,22)
InChIKeyCIPJEXPBJDLNIP-UHFFFAOYSA-N
XLogP3.44
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.69
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid?
The IUPAC name of 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid (CID 90417980) is 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid is Nc1c(F)c(-c2ccc3cc[nH]c3c2F)nc(C(=O)O)c1Cl.
What is the InChIKey of 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid?
The InChIKey is CIPJEXPBJDLNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF2N3O2/c15-7-10(18)9(17)12(20-13(7)14(21)22)6-2-1-5-3-4-19-11(5)8(6)16/h1-4,19H,(H2,18,20)(H,21,22).
What are the key properties of 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid?
4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid has a molecular weight of 323.69 g/mol, XLogP of 3.44, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 90417980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).